Molecule

ID:118539

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNO
Molecular Mass
151.1377432
Exact Mass
151.04334204
Charge
0
InChI
InChI=1S/C8H6FNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
InChIKey
TWGFYAUQRMVTSI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)C(=O)NC2
Isomeric Smiles
C1(=O)NCc2c1cc(cc2)F
Calculated Properties
JChem
Acid pKa
12.062996
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.94149125
LogD (pH = 7.4)
0.941483
Log P
0.9414914
Molar Refractivity
38.8041
Polarizability
13.989583
Polar Surface Area
29.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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